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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamic properties of a polaron coupled to dispersive optical phonons

We study static and dynamic properties of an electron coupled to dispersive quantum optical phonons in the framework of the Holstein model defined on a one-dimensional lattice. Calculations are performed using the Lanczos algorithm based on a highly efficient construction of the variational Hilbert space. Even small phonon dispersion has a profound effect on the low-energy optical response. While the upward phonon dispersion broadens the optical spectra due to single-phonon excitations, the downward dispersion has the opposite effect. With increasing dispersion, a multiphonon excitation (MPE) state becomes the lowest excited state of the system at zero momentum and determines the low-frequency response of the optical conductivity where the threshold for optical absorption moves below the single-phonon frequency. Multiphonon states form a well-defined bandlike feature just above the polaron band as clearly seen in the electron spectral function. Low-energy MPEs should be observable in systems with strong optical phonon dispersion in optical as well as angle-resolved photoemission experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Confinement of many-body Bethe strings

Based on the Bethe ansatz approach and inelastic neutron scattering experiments, we reveal the evolution of confinement of many-body Bethe strings in ordered regions of the quasi-one-dimensional antiferromagnet YbAlO 3 . In the antiferromagnetic phase, the spin dynamics is dominated by confined length-1 Bethe strings, whose dominancy in the high-energy branch of the excitation spectrum yields to confined length-2 Bethe strings when the material is tuned to the spin-density-wave phase. In the thermal-induced disordered region, the confinement effect disappears, and the system restores the conventional quantum integrable physics of the one-dimensional Heisenberg model. Finally, our results establish a unified picture based on a Bethe string for the spin dynamics in different magnetic phases of YbAlO 3 , and thus provide profound insight into many-body quantum magnetism.

1-dimensional spin chains↗
DOE OSTI2020

Raman Response in the Nematic Phase of FeSe

Raman experiments on bulk FeSe revealed that the low-frequency part of the B 1g Raman response R B1 g (Ω), which probes nematic fluctuations, rapidly decreases below the nematic transition at T n ~ 85 K. Such behavior is expected when a gap opens up and at a first glance is inconsistent with the fact that FeSe remains a metal below Tn. We argue that the drop of R B1 g (Ω) can be ascribed to the fact that the nematic order drastically changes the orbital content of low-energy excitations near hole and electron pockets, making them nearly mono-orbital. In this situation, the B 1g Raman response gets reduced by the same vertex corrections that enforce charge conservation in the symmetric Raman channel. The reduction holds at low frequencies and gives rise to gaplike behavior of R B1 g (Ω). Here, we also show that the enhancement of the B 1g Raman response near T n is consistent with the sign change of the nematic order parameter between hole and electron pockets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Mobile orbitons in Ca 2 CuO 3 : Crucial role of Hund's exchange

We investigate the Cu L 3 edge resonant inelastic x-ray scattering (RIXS) spectra of a quasi-1D antiferromagnet Ca 2 CuO 3 . In addition to the magnetic excitations, which are well-described by the two-spinon continuum, we observe two dispersive orbital excitations, the 3d xy and the 3d yz orbitons. We carry out a quantitative comparison of the RIXS spectra, obtained with two distinct incident polarizations, with a theoretical model. We show that any realistic spin-orbital model needs to include a finite, but realistic, Hund's exchange J H ≈ 0.5 eV . Its main effect is an increase in orbiton velocities, so that their theoretically calculated values match those observed experimentally. Even though Hund's exchange also mediates some interaction between spinon and orbiton, the picture of spin-orbit separation remains intact and describes orbiton motion in this compound.

1-dimensional spin chains↗
DOE OSTI2021

Visualizing quasiparticles from quantum entanglement for general one-dimensional phases

In this work, we present a quantum information framework for the entanglement behavior of the low-energy quasiparticle (QP) excitations in various quantum phases in one-dimensional (1D) systems. We first establish an exact correspondence between the correlation matrix and the QP entanglement Hamiltonian for free fermions and find an extended in-gap state in the QP entanglement Hamiltonian as a consequence of the position uncertainty of the QP. A more general understanding of such an in-gap state can be extended to a Kramers theorem for the QP entanglement Hamiltonian, which also applies to strongly interacting systems. Further, we present a set of ubiquitous entanglement spectrum features, dubbed entanglement fragmentation, conditional mutual information, and measurement-induced nonlocal entanglement for QPs in 1D symmetry protected topological phases. Our result thus provides another framework to identify different phases of matter in terms of their QP entanglement.

1-dimensional spin chains↗
DOE OSTI2021

Twisted bilayer graphene. V. Exact analytic many-body excitations in Coulomb Hamiltonians: Charge gap, Goldstone modes, and absence of Cooper pairing

We find exact analytic expressions for the energies and wave functions of the charged and neutral excitations above the exact ground states (at rational filling per unit cell) of projected Coulomb Hamiltonians in twisted bilayer graphene. Our exact expressions are valid for any form of the Coulomb interaction and any form of A A and A B / B A tunneling. The single charge excitation energy is a convolution of the Coulomb potential with a quantum geometric tensor of the TBG bands. The neutral excitations are (high-symmetry group) magnons, and their dispersion is analytically calculated in terms of the form factors of the active bands in TBG. The two-charge excitation energy and wave functions are also obtained, and a sufficient condition on the graphene eigenstates for obtaining a Cooper pair from Coulomb interactions is obtained. For the actual TBG bands at the first magic angle, we can analytically show that the Cooper pair binding energy is zero in all such projected Coulomb models, implying that either phonons and/or nonzero kinetic energy are needed for superconductivity. Since Vafek and Kang [Phys. Rev. Lett. 125, 257602 (2020)] showed that the kinetic energy bounds on the superexchange energy are less 10 -3 in Coulomb units, the phonon mechanism becomes then very likely. If nonetheless the superconductivity is due to kinetic terms which render the bands nonflat, one prediction of our theory is that the highest T c would not occur at the highest DOS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Effective field theory for dark matter absorption on single phonons

Single phonon excitations, with energies in the 1–100 meV range, are a powerful probe of light dark matter (DM). Utilizing effective field theory, we derive a framework to compute DM absorption rates into single phonons starting from general DM-electron, proton, and neutron interactions. We apply the framework to a variety of DM models: Yukawa coupled scalars, axionlike particles with derivative interactions, and vector DM coupling via gauge interactions or Standard Model electric and magnetic dipole moments. We find that GaAs or Al 2 O 3 targets can set powerful constraints on a U ( 1 ) B − L model, and targets with electronic spin ordering are similarly sensitive to DM coupling to the electron magnetic dipole moment. Lastly, we make the code, (an extension of the existing code which computes general DM–single phonon scattering rates), publicly available. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Ubiquitous suppression of the nodal coherent spectral weight in Bi-based cuprates

High-temperature superconducting cuprates exhibit an intriguing phenomenology for the low-energy elementary excitations. In particular, an unconventional temperature dependence of the coherent spectral weight (CSW) has been observed in the superconducting phase by angle-resolved photoemission spectroscopy (ARPES), both at the antinode where the d-wave paring gap is maximum, as well as along the gapless nodal direction. In this work, we combine equilibrium and time-resolved ARPES to track the temperature-dependent meltdown of the nodal CSW in Bi-based cuprates with unprecedented sensitivity. We find the nodal suppression of CSW upon increasing temperature to be ubiquitous across single- and bi-layer Bi cuprates, and uncorrelated to superconducting and pseudogap onset temperatures. We quantitatively model both the lineshape of the nodal spectral features and the anomalous suppression of CSW within the Fermi-liquid framework, establishing the key role played by the normal state electrodynamics in the description of nodal quasiparticles in superconducting cuprates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Enhancement of charge-neutral fermionic excitations near the spin-flop transition in the magnetic Kondo material YbIr 3 Si 7

The new Kondo material YbIr 3 Si 7 , similar to other Kondo insulators, has been reported to exhibit charge-neutral fermionic excitations through measurements of specific heat and thermal conductivity at low temperatures. We performed 29 Si-NMR on YbIr 3 Si 7 to investigate the magnetic response of charge-neutral fermions from a microscopic perspective. In low magnetic fields parallel to the c axis, a single NMR peak in the paramagnetic state splits into three peaks below TN. In contrast, only a slight shift of the single NMR peak was observed in high magnetic fields. This spectral change as a function of the c-axis magnetic field is interpreted as a spin-flop transition, at which the magnetic moments oriented along the c axis antiferromagnetic (AFM-I) phase are rotated to the ab plane with a ferromagnetic component along the c-axis (AFM-II phase). In the vicinity of the spin-flop magnetic field H M , the nuclear spin-lattice relaxation rate 1/T 1 was found to be proportional to temperature at low temperatures, indicating the existence of charge-neutral fermions. Furthermore, a peak of 1/T 1 versus the c-axis magnetic field suggests that the charge-neutral fermions in YbIr 3 Si 7 are closely related to its magnetic properties. Our findings shed light on the origin of charge-neutral fermions in insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnetic field effects in an octupolar quantum spin liquid candidate

Quantum spin liquid (QSL) is a disordered state of quantum-mechanically entangled spins commonly arising from frustrated magnetic dipolar interactions. However, QSL in some pyrochlore magnets can also come from frustrated magnetic octupolar interactions. Although the key signature for both dipolar and octupolar interaction-driven QSL is the presence of a spin excitation continuum (spinons) arising from the spin quantum number fractionalization, an external magnetic field-induced ferromagnetic order will transform the spinons into conventional spin waves in a dipolar QSL. By contrast, in an octupole QSL, the spin waves carry octupole moments that do not couple, in the leading order, to an external magnetic field or to neutron moments but will contribute to the field dependence of the heat capacity. Here, in this study, we use neutron scattering to show that the application of a large external magnetic field to Ce 2 Zr 2 O 7 , an octupolar QSL candidate, induces an Anderson-Higgs transition by condensing the spinons into a static ferromagnetic ordered state with octupolar spin waves invisible to neutrons but contributing to the heat capacity. Our theoretical calculations also provide a microscopic, qualitative understanding for the presence of octupole scattering at large wave vectors in Ce 2 Sn 2 O 7 pyrochlore, and its absence in Ce 2 Zr 2 O 7 . Therefore, our results identify Ce 2 Zr 2 O 7 as a strong candidate for an octupolar U(1) QSL, establishing that frustrated magnetic octupolar interactions are responsible for QSL properties in Ce-based pyrochlore magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Quantitative analysis of Raman spectral parameters for carbon fibers: practical considerations and connection to mechanical properties

Although the literature on the Raman spectra of carbon fibers is vast, no consistent, robust predictive relationship between mechanical properties of carbon fibers and spectral parameters exists. This shortcoming is due to the use of numerous fitting functions to evaluate Raman spectra of carbon fibers and the inconsistencies in establishing the best fitting models in a statistically robust fashion. To address this gap, we present a comprehensive work on the Raman spectra of carbon fibers that combines a vast library of experimental data with a robust numerical analysis and a statistical evaluation of a wide range of suggested fitting models. This manuscript begins with a brief review of the commonly applied fitting models. Then, the Raman spectra of 32 commercially available polyacrylonitrile-based carbon fibers collected at excitation wavelengths 532, 633, and 785 nm are presented and the best fit for all fibers is evaluated based on several statistical criteria in conjunction with numerical calculations and physical arguments. The results suggest that high-performance fibers must be fit with at least five peaks, whereas high-tensile modulus fibers are best fit with at least six distinct peaks. Finally, we employ simultaneous fitting of the Raman spectra of specific fibers and wavelengths and demonstrate that strong correlations exist between mechanical properties and the D1 peak position and shape across the range of evaluated mechanical properties. Finally, we suggest straightforward improvements in fitting analysis procedures that can be implemented to increase coherency in the understanding of the underlying carbon fiber microstructure intuited from Raman spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

The TDHF code Sky3D version 1.2

The Sky3D code has been widely used to describe nuclear ground states, collective vibrational excitations, and heavy-ion collisions. The approach is based on Skyrme forces or related energy density functionals. The static and dynamic equations are solved on a three-dimensional grid, and pairing is been implemented in the BCS approximation. This updated version of the code aims to facilitate the calculation of nuclear strength functions in the regime of linear response theory, while retaining all existing functionality and use cases. The strength functions are benchmarked against available RPA codes, and the user has the freedom of choice when selecting the nature of external excitation (from monopole to hexadecapole and more). Some utility programs are also provided that calculate the strength function from the time-dependent output of the dynamic calculations of the Sky3D code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Gate-tunable plasmons in mixed-dimensional van der Waals heterostructures

Abstract Surface plasmons, collective electromagnetic excitations coupled to conduction electron oscillations, enable the manipulation of light–matter interactions at the nanoscale. Plasmon dispersion of metallic structures depends sensitively on their dimensionality and has been intensively studied for fundamental physics as well as applied technologies. Here, we report possible evidence for gate-tunable hybrid plasmons from the dimensionally mixed coupling between one-dimensional (1D) carbon nanotubes and two-dimensional (2D) graphene. In contrast to the carrier density-independent 1D Luttinger liquid plasmons in bare metallic carbon nanotubes, plasmon wavelengths in the 1D-2D heterostructure are modulated by 75% via electrostatic gating while retaining the high figures of merit of 1D plasmons. We propose a theoretical model to describe the electromagnetic interaction between plasmons in nanotubes and graphene, suggesting plasmon hybridization as a possible origin for the observed large plasmon modulation. The mixed-dimensional plasmonic heterostructures may enable diverse designs of tunable plasmonic nanodevices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Universality of Dicke superradiance in arrays of quantum emitters

Abstract Dicke superradiance is an example of emergence of macroscopic quantum coherence via correlated dissipation. Starting from an initially incoherent state, a collection of excited atoms synchronizes as they decay, generating a macroscopic dipole moment and emitting a short and intense pulse of light. While well understood in cavities, superradiance remains an open problem in extended systems due to the exponential growth of complexity with atom number. Here we show that Dicke superradiance is a universal phenomenon in ordered arrays. We present a theoretical framework – which circumvents the exponential complexity of the problem – that allows us to predict the critical distance beyond which Dicke superradiance disappears. This critical distance is highly dependent on the dimensionality and atom number. Our predictions can be tested in state of the art experiments with arrays of neutral atoms, molecules, and solid-state emitters and pave the way towards understanding the role of many-body decay in quantum simulation, metrology, and lasing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Magnons and magnetic fluctuations in atomically thin MnBi 2 Te 4

Electron band topology is combined with intrinsic magnetic orders in MnBi 2 Te 4 , leading to novel quantum phases. Here we investigate collective spin excitations (i.e. magnons) and spin fluctuations in atomically thin MnBi 2 Te 4 flakes using Raman spectroscopy. In a two-septuple layer with non-trivial topology, magnon characteristics evolve as an external magnetic field tunes the ground state through three ordered phases: antiferromagnet, canted antiferromagnet, and ferromagnet. The Raman selection rules are determined by both the crystal symmetry and magnetic order while the magnon energy is determined by different interaction terms. Using non-interacting spin-wave theory, we extract the spin-wave gap at zero magnetic field, an anisotropy energy, and interlayer exchange in bilayers. We also find magnetic fluctuations increase with reduced thickness, which may contribute to a less robust magnetic order in single layers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Vertex dominated superconductivity in intercalated FeSe

Bulk FeSe becomes superconducting below 9 K, but the critical temperature (T c ) is enhanced almost universally by a factor of ~4–5 when it is intercalated with alkali elements. How intercalation modifies the structure is known from in-situ X-ray and neutron scattering techniques, but why T c changes so dramatically is not known. Here we show that there is one-to-one correspondence between the enhancement in magnetic instabilities at certain q vectors and superconducting pairing vertex, even while the nuclear spin relaxation rate 1/(T 1 T) may not reflect this enhancement. Intercalation modifies electronic screening both in the plane and also between layers. We disentangle quantitatively how superconducting pairing vertex gains from each such changes in electronic screening. Intercalated FeSe provides an archetypal example of superconductivity where information derived from the single-particle electronic structure appears to be insufficient to account for the origins of superconductivity, even when they are computed including correlation effects. We show that the five-fold enhancement in T c on intercalation is not sensitive to the exact position of the d xy at Γ point, as long as it stays close to E F . Finally, we show that intercalation also significantly softens the collective charge excitations, suggesting the electron-phonon interaction could play some role in intercalated FeSe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Direct observation of two-dimensional magnons in atomically thin CrI 3

Magnons are collective spin excitations in crystals with long-range magnetic order. The emergent van der Waals magnets provide a highly tunable platform to explore magnetic excitations in the two-dimensional limit with intriguing properties, manifesting from their honeycomb lattice structure and switchable magnetic configurations. Here, we report the direct observation of two-dimensional magnons through magneto-Raman spectroscopy with optical selection rules determined by the interplay between crystal symmetry, layer number and magnetic states in atomically thin CrI 3 . In monolayers, we observe an acoustic magnon mode at ~0.3 meV. It has strict cross-circularly polarized selection rules locked to the magnetization direction that originates from the conservation of angular momentum of photons and magnons dictated by three-fold rotational symmetry. Additionally, we reveal optical magnon modes at ~17 meV. This mode is Raman silent in monolayers, but optically active in bilayers and bulk due to a relaxation of the parity criterion resulting from the layer index. In the layered antiferromagnetic states, we directly resolve two degenerate optical magnon modes with opposite angular momentum and conjugate optical selection rules. From these measurements, we quantitatively extract the spin-wave gap, magnetic anisotropy and intralayer and interlayer exchange constants, and establish two-dimensional magnets as a new platform for exploring magnon physics.

36 MATERIALS SCIENCE↗